N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

C18H23F3N6O5S — CID 155836313

IUPACN-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2C[C@@H]3[C@@H](CNS(=O)(=O)C4CC4)CO[C@@H]3C2)n2ncnc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N6O3S.C2HF3O2/c1-10-4-15(22-16(20-10)17-9-18-22)21-6-13-11(8-25-14(13)7-21)5-19-26(23,24)12-2-3-12;3-2(4,5)1(6)7/h4,9,11-14,19H,2-3,5-8H2,1H3;(H,6,7)/t11-,13+,14+;/m0./s1
InChIKeyJWUHPVJTLJOMIN-IRIHETDOSA-N
MW492.48 g/mol
LogP0.60
Rot. Bonds5

About N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid

N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 155836313) has the molecular formula C18H23F3N6O5S and a molecular weight of 492.48 g/mol. Its IUPAC name is N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
PubChem CID155836313
Molecular FormulaC18H23F3N6O5S
Molecular Weight492.48 g/mol
Exact Mass492.14
IUPAC NameN-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(N2C[C@@H]3[C@@H](CNS(=O)(=O)C4CC4)CO[C@@H]3C2)n2ncnc2n1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H22N6O3S.C2HF3O2/c1-10-4-15(22-16(20-10)17-9-18-22)21-6-13-11(8-25-14(13)7-21)5-19-26(23,24)12-2-3-12;3-2(4,5)1(6)7/h4,9,11-14,19H,2-3,5-8H2,1H3;(H,6,7)/t11-,13+,14+;/m0./s1
InChIKeyJWUHPVJTLJOMIN-IRIHETDOSA-N
XLogP0.60
TPSA139.02 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid (CID 155836313) is N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is Cc1cc(N2C[C@@H]3[C@@H](CNS(=O)(=O)C4CC4)CO[C@@H]3C2)n2ncnc2n1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is JWUHPVJTLJOMIN-IRIHETDOSA-N. The full InChI is InChI=1S/C16H22N6O3S.C2HF3O2/c1-10-4-15(22-16(20-10)17-9-18-22)21-6-13-11(8-25-14(13)7-21)5-19-26(23,24)12-2-3-12;3-2(4,5)1(6)7/h4,9,11-14,19H,2-3,5-8H2,1H3;(H,6,7)/t11-,13+,14+;/m0./s1.
What are the key properties of N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid?
N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 492.48 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S,3aS,6aS)-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]cyclopropanesulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155836313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).